Fixed default value for output_logs and fixed redundant code in chemi…

…stry_benchmark.py Signed-off-by: Jerimiah <Jerimiah.wright@utexas.edu>
danclaudino · Jun 5, 2020 · 2e4caea · 2e4caea
1 parent 6e32ae1
commit 2e4caea
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Showing 2 changed files with 3 additions and 9 deletions.
diff --git a/python/benchmark/chemistry/chemistry_benchmark.py b/python/benchmark/chemistry/chemistry_benchmark.py
@@ -36,18 +36,12 @@ def execute(self, inputParams):
         elif inputParams['Observable']['name'] == 'fermion':
             obs_str = inputParams['Observable']['obs_str']
             H = xacc.getObservable('fermion', obs_str)
-        elif inputParams['Observable']['name'] == 'psi4':
+        elif inputParams['Observable']['name'] in ['pyscf','psi4']:
             opts = {'basis':inputParams['Observable']['basis'], 'geometry':inputParams['Observable']['geometry']}
             if 'fo' in inputParams['Observable'] and 'ao' in inputParams['Observable']:
                 opts['frozen-spin-orbitals'] = ast.literal_eval(inputParams['Observable']['fo'])
                 opts['active-spin-orbitals'] = ast.literal_eval(inputParams['Observable']['ao'])
-            H = xacc.getObservable('psi4', opts)
-        elif inputParams['Observable']['name'] == 'pyscf':
-            opts = {'basis':inputParams['Observable']['basis'], 'geometry':inputParams['Observable']['geometry']}
-            if 'fo' in inputParams['Observable'] and 'ao' in inputParams['Observable']:
-                opts['frozen-spin-orbitals'] = ast.literal_eval(inputParams['Observable']['fo'])
-                opts['active-spin-orbitals'] = ast.literal_eval(inputParams['Observable']['ao'])
-            H = xacc.getObservable('pyscf', opts)
+            H = xacc.getObservable(inputParams['Observable']['name'], opts)
 
         #print('Ham: ', H.toString())
         qpu = xacc.getAccelerator(acc_name, xacc_opts)

diff --git a/python/xacc.py b/python/xacc.py
@@ -408,7 +408,7 @@ def benchmark(xacc_settings):
         tail)[0], timestr)
 
     if 'output_logs' not in xacc_settings['Benchmark']:
-            xacc_settings['Benchmark']['output_logs'] = False
+            xacc_settings['Benchmark']['output_logs'] = True
 
     if xacc_settings['Benchmark']['output_logs'] == True:
         f = open(results_name+".ab", 'w')